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Irbesartan Impurity 44

CAT: 1299-RM-I192044-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I192044-01Size:10 mg
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CAS Number
2763750-28-1
Synonyms
4'- (azidomethyl) -[1,1'-biphenyl]-2-carboxamide
Molecular Formula
C14H12N4O
Molecular Weight
252.27
Target Alternative Name
Irbesartan
Product Name Synonym
4'- (azidomethyl) -[1,1'-biphenyl]-2-carboxamide

Chemical Information

4'-(Azidomethyl)-[1,1'-biphenyl]-2-carboxamide
CAS Number2763750-28-1
PubChem CID149908729
IUPAC Name2-[4-(azidomethyl)phenyl]benzamide
Molecular FormulaC14H12N4O
Molecular Weight252.27
XLogP3.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity356
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)CN=[N+]=[N-])C(=O)N
InChI
InChI=1S/C14H12N4O/c15-14(19)13-4-2-1-3-12(13)11-7-5-10(6-8-11)9-17-18-16/h1-8H,9H2,(H2,15,19)
InChIKey
CITOWHKJBDXBBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-(Azidomethyl)-[1,1'-biphenyl]-2-carboxamide
CAS: 2763750-28-1
CID: 149908729
Formula: C14H12N4O
MW: 252.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.27
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass252.10111102
Monoisotopic Mass252.10111102
Topological Polar Surface Area57.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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